4-[[4-[(2-octylsulfanyl-1H-imidazol-5-yl)methyl]imidazol-1-yl]methyl]-N-pent-2-ynyl-benzamide

Systemtic Name: 4-[[4-[(2-octylsulfanyl-1H-imidazol-5-yl)methyl]imidazol-1-yl]methyl]-N-pent-2-ynyl-benzamide Openeye Name: 4-[[4-[(2-octylsulfanyl-1H-imidazol-5-yl)methyl]imidazol-1-yl]methyl]-N-pent-2-ynyl-benzamide CAS Name: 4-[[4-[[2-(octylthio)-1H-imidazol-5-yl]methyl]-1-imidazolyl]methyl]-N-pent-2-ynylbenzamide IUPAC Name: 4-[[4-[(2-octylsulfanyl-1H-imidazol-5-yl)methyl]imidazol-1-yl]methyl]-N-pent-2-ynylbenzamide Traditional Name: 4-[[4-[[2-(octylthio)-1H-imidazol-5-yl]methyl]imidazol-1-yl]methyl]-N-pent-2-ynyl-benzamide Formula: C28H37N5OS MolecularWeight: 491.69128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC=C(N1)CC2=CN(C=N2)CC3=CC=C(C=C3)C(=O)NCC#CCC

Isomeric SMILES

CCCCCCCCSC1=NC=C(N1)CC2=CN(C=N2)CC3=CC=C(C=C3)C(=O)NCC#CCC

InChI

InChI=1S/C28H37N5OS/c1-3-5-7-8-9-11-17-35-28-30-19-25(32-28)18-26-21-33(22-31-26)20-23-12-14-24(15-13-23)27(34)29-16-10-6-4-2/h12-15,19,21-22H,3-5,7-9,11,16-18,20H2,1-2H3,(H,29,34)(H,30,32)